ethyl 4-[2-cyano-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethyl-butanoate

Systemtic Name: ethyl 4-[2-cyano-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethyl-butanoate Openeye Name: ethyl 4-[2-cyano-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butanoate CAS Name: 4-[2-cyano-4-[3-(2-pyridinylamino)propoxy]phenyl]-3,3-dimethylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[2-cyano-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethylbutanoate Traditional Name: 4-[2-cyano-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butyric acid ethyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)CC1=C(C=C(C=C1)OCCCNC2=CC=CC=N2)C#N

Isomeric SMILES

CCOC(=O)CC(C)(C)CC1=C(C=C(C=C1)OCCCNC2=CC=CC=N2)C#N

InChI

InChI=1S/C23H29N3O3/c1-4-28-22(27)16-23(2,3)15-18-9-10-20(14-19(18)17-24)29-13-7-12-26-21-8-5-6-11-25-21/h5-6,8-11,14H,4,7,12-13,15-16H2,1-3H3,(H,25,26)